CID 15752579

1-bromo-3-methoxy-3-methylbutane

Structural Information

Molecular Formula
C6H13BrO
SMILES
CC(C)(CCBr)OC
InChI
InChI=1S/C6H13BrO/c1-6(2,8-3)4-5-7/h4-5H2,1-3H3
InChIKey
HMCZVEFRWYFZIM-UHFFFAOYSA-N
Compound name
1-bromo-3-methoxy-3-methylbutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

180.01498 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.02226 133.5
[M+Na]+ 203.00420 144.7
[M-H]- 179.00770 136.8
[M+NH4]+ 198.04880 157.4
[M+K]+ 218.97814 135.4
[M+H-H2O]+ 163.01224 134.9
[M+HCOO]- 225.01318 153.5
[M+CH3COO]- 239.02883 180.4
[M+Na-2H]- 200.98965 142.1
[M]+ 180.01443 154.0
[M]- 180.01553 154.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe